SCHEMBL1737404

SCHEMBL1737404

CCCn1c(C)c(C)c2ccnc(COc3ccc(F)cc3)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TP53 P04637 1/20 0.34
HASPIN Q8TF76 1/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADORA2B P29275 3/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA1 P30542 1/20 0.34
GRM5 P41594 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL1737655 0.99 DYRK1A (0.40) DYRK1ANPC1RAB9AMAOAMAOB
SCHEMBL1737044 0.91 DYRK1A (0.41) DYRK1ANPC1RAB9AALDH1A1HPGD
Hydrochloric Acid SCHEMBL1736072 0.90 DYRK1A (0.40) DYRK1ANPC1RAB9AALDH1A1TP53
SCHEMBL1737253 0.90 DYRK1A (0.38) DYRK1ANPC1RAB9AMAOAMAOB
SCHEMBL1736053 0.89 DYRK1A (0.40) DYRK1ANPC1RAB9AMAOAMAOB
Hydrochloric Acid SCHEMBL1736373 0.89 DYRK1A (0.38) DYRK1ANPC1RAB9AMAOAMAOB
Hydrochloric Acid SCHEMBL1739792 0.88 DYRK1A (0.39) DYRK1ANPC1RAB9AMAOAMAOB
SCHEMBL1739067 0.88 RAB9A (0.41) NPC1RAB9AMAOAMAOBALDH1A1
Hydrochloric Acid SCHEMBL1736057 0.87 RAB9A (0.40) NPC1RAB9AMAOAMAOBALDH1A1
SCHEMBL1736156 0.85 MAPT (0.42) DYRK1AMAOBTP53MAPTCYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed